N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide

C8H14F3N3S — CID 111800808

IUPACN'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C8H14F3N3S/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14/h1-6H2,(H2,12,13)
InChIKeyNUOYFXOCKXUDPA-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.30
Rot. Bonds2

About N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide

N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide (PubChem CID 111800808) has the molecular formula C8H14F3N3S and a molecular weight of 241.28 g/mol. Its IUPAC name is N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide
PubChem CID111800808
Molecular FormulaC8H14F3N3S
Molecular Weight241.28 g/mol
Exact Mass241.09
IUPAC NameN'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide
SMILESN/C(=N\CCC(F)(F)F)N1CCSCC1
InChIInChI=1S/C8H14F3N3S/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14/h1-6H2,(H2,12,13)
InChIKeyNUOYFXOCKXUDPA-UHFFFAOYSA-N
XLogP1.30
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide?
The IUPAC name of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide (CID 111800808) is N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide.
What is the SMILES notation for N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide?
The canonical SMILES for N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide is N/C(=N\CCC(F)(F)F)N1CCSCC1.
What is the InChIKey of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide?
The InChIKey is NUOYFXOCKXUDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3S/c9-8(10,11)1-2-13-7(12)14-3-5-15-6-4-14/h1-6H2,(H2,12,13).
What are the key properties of N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide?
N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide has a molecular weight of 241.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3,3-trifluoropropyl)thiomorpholine-4-carboximidamide is sourced from PubChem (CID 111800808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).